2-amino-2-(4-tert-butyl-2,6-dimethylphenyl)-N-methylacetohydrazide

C15H25N3O — CID 116848948

IUPAC2-amino-2-(4-tert-butyl-2,6-dimethylphenyl)-N-methylacetohydrazide
SMILESCc1cc(C(C)(C)C)cc(C)c1C(N)C(=O)N(C)N
InChIInChI=1S/C15H25N3O/c1-9-7-11(15(3,4)5)8-10(2)12(9)13(16)14(19)18(6)17/h7-8,13H,16-17H2,1-6H3
InChIKeyUSHVTCNETFOMKD-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.93
Rot. Bonds2

About 2-amino-2-(4-tert-butyl-2,6-dimethylphenyl)-N-methylacetohydrazide

2-amino-2-(4-tert-butyl-2,6-dimethylphenyl)-N-methylacetohydrazide (PubChem CID 116848948) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-amino-2-(4-tert-butyl-2,6-dimethylphenyl)-N-methylacetohydrazide.

Molecular Properties

Compound Name2-amino-2-(4-tert-butyl-2,6-dimethylphenyl)-N-methylacetohydrazide
PubChem CID116848948
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-amino-2-(4-tert-butyl-2,6-dimethylphenyl)-N-methylacetohydrazide
SMILESCc1cc(C(C)(C)C)cc(C)c1C(N)C(=O)N(C)N
InChIInChI=1S/C15H25N3O/c1-9-7-11(15(3,4)5)8-10(2)12(9)13(16)14(19)18(6)17/h7-8,13H,16-17H2,1-6H3
InChIKeyUSHVTCNETFOMKD-UHFFFAOYSA-N
XLogP1.93
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-tert-butyl-2,6-dimethylphenyl)-N-methylacetohydrazide?
The IUPAC name of 2-amino-2-(4-tert-butyl-2,6-dimethylphenyl)-N-methylacetohydrazide (CID 116848948) is 2-amino-2-(4-tert-butyl-2,6-dimethylphenyl)-N-methylacetohydrazide.
What is the SMILES notation for 2-amino-2-(4-tert-butyl-2,6-dimethylphenyl)-N-methylacetohydrazide?
The canonical SMILES for 2-amino-2-(4-tert-butyl-2,6-dimethylphenyl)-N-methylacetohydrazide is Cc1cc(C(C)(C)C)cc(C)c1C(N)C(=O)N(C)N.
What is the InChIKey of 2-amino-2-(4-tert-butyl-2,6-dimethylphenyl)-N-methylacetohydrazide?
The InChIKey is USHVTCNETFOMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-9-7-11(15(3,4)5)8-10(2)12(9)13(16)14(19)18(6)17/h7-8,13H,16-17H2,1-6H3.
What are the key properties of 2-amino-2-(4-tert-butyl-2,6-dimethylphenyl)-N-methylacetohydrazide?
2-amino-2-(4-tert-butyl-2,6-dimethylphenyl)-N-methylacetohydrazide has a molecular weight of 263.38 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-tert-butyl-2,6-dimethylphenyl)-N-methylacetohydrazide is sourced from PubChem (CID 116848948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).